3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide

C27H22FN3O — CID 164589775

IUPAC3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide
SMILESNC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1C1(c2ccccc2)CC1
InChIInChI=1S/C27H22FN3O/c28-21-9-4-6-18(16-21)19-12-13-24(30-17-19)31-23-11-5-10-22(26(29)32)25(23)27(14-15-27)20-7-2-1-3-8-20/h1-13,16-17H,14-15H2,(H2,29,32)(H,30,31)
InChIKeyBUBNQONGZCTIFF-UHFFFAOYSA-N
MW423.49 g/mol
LogP5.81
Rot. Bonds6

About 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide

3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide (PubChem CID 164589775) has the molecular formula C27H22FN3O and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide
PubChem CID164589775
Molecular FormulaC27H22FN3O
Molecular Weight423.49 g/mol
Exact Mass423.17
IUPAC Name3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide
SMILESNC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1C1(c2ccccc2)CC1
InChIInChI=1S/C27H22FN3O/c28-21-9-4-6-18(16-21)19-12-13-24(30-17-19)31-23-11-5-10-22(26(29)32)25(23)27(14-15-27)20-7-2-1-3-8-20/h1-13,16-17H,14-15H2,(H2,29,32)(H,30,31)
InChIKeyBUBNQONGZCTIFF-UHFFFAOYSA-N
XLogP5.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide (CID 164589775) is 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide is NC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1C1(c2ccccc2)CC1.
What is the InChIKey of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?
The InChIKey is BUBNQONGZCTIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O/c28-21-9-4-6-18(16-21)19-12-13-24(30-17-19)31-23-11-5-10-22(26(29)32)25(23)27(14-15-27)20-7-2-1-3-8-20/h1-13,16-17H,14-15H2,(H2,29,32)(H,30,31).
What are the key properties of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?
3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide has a molecular weight of 423.49 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 164589775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).